CID 577096

Imidazo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C6H5N3
SMILES
C1=CN2C=NC=C2N=C1
InChI
InChI=1S/C6H5N3/c1-2-8-6-4-7-5-9(6)3-1/h1-5H
InChIKey
LXYHLTOJFGNEKG-UHFFFAOYSA-N
Compound name
imidazo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1853
Patents

119.04835 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.05563 118.1
[M+Na]+ 142.03757 129.4
[M-H]- 118.04107 119.2
[M+NH4]+ 137.08217 139.5
[M+K]+ 158.01151 127.1
[M+H-H2O]+ 102.04561 110.6
[M+HCOO]- 164.04655 141.9
[M+CH3COO]- 178.06220 133.1
[M+Na-2H]- 140.02302 129.5
[M]+ 119.04780 119.5
[M]- 119.04890 119.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe